Information card for entry 4119933

Structure parameters

• Formula: C37 H34 B F10 P
• Calculated formula: C37 H34 B F10 P
• SMILES: [PH+]([C@@H]1[C@@H]2CC[C@H]([C@H]1[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C2)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[PH+]([C@H]1[C@H]2CC[C@@H]([C@@H]1[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C2)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions
• Authors of publication: Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8882 - 8895
• a: 17.5236 ± 0.0005 Å
• b: 18.1897 ± 0.0006 Å
• c: 20.2976 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6469.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No